| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 25 | Yes |
Popular Name: 3-methyl-7-[(1S)-1-methyl-2-oxo-propyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione 3-methyl-7-[(1S)-1-methyl-2-oxo-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.24 | 5.41 | -59.39 | 2 | 9 | 1 | 97 | 349.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.24 | 5.25 | -57.99 | 2 | 9 | 1 | 97 | 349.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.24 | 2.94 | -16.68 | 1 | 9 | 0 | 96 | 348.407 | 4 | ↓ |
